Mol:FL5FFANS0022

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  28  29 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30   -2.2594    0.4683 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28    2.5799    1.1526 
S  SKP  8 
ID	FL5FFANS0022 
KNApSAcK_ID	C00004927 
NAME	Herbacetin 7,4'-dimethyl ether 8-butyrate 
CAS_RN	69306-85-0 
FORMULA	C21H20O8 
EXACTMASS	400.11581761599996 
AVERAGEMASS	400.3787 
SMILES	COc(c3)c(c(c(c(O)3)1)OC(c(c2)ccc(OC)c2)=C(C1=O)O)OC(=O)CCC 
M  END